3-(4-Methoxyphenyl)-4-methyl-5-isothiazolamine supplier

Name
3-(4-methoxyphenyl)-4-methylisothiazol-5-amine
EINECS
CAS No. 1050392-29-4
Article Data2
CAS DataBase
Density 1.223g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂N₂OS
Boiling Point 294.6 °C at 760 mmHg
Molecular Weight 220.295
Flash Point 132 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-isothiazolamine, 3-(4-methoxyphenyl)-4-methyl-;
PSA 76.38000
LogP 3.29050

3-(4-Methoxyphenyl)-4-methyl-5-isothiazolamine Specification

The 3-(4-Methoxyphenyl)-4-methyl-5-isothiazolamine with cas registry number of 1050392-29-4, has the systematic name of 3-(4-methoxyphenyl)-4-methyl-isothiazol-5-amine. And it is also called 5-isothiazolamine, 3-(4-methoxyphenyl)-4-methyl-.

Physical properties about this chemical are: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.63; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.25; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 26.64; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 76.38 Å²; (12)Index of Refraction: 1.618; (13)Molar Refractivity: 63.05 cm³; (14)Molar Volume: 179.9 cm³; (15)Polarizability: 24.99×10^-24cm³; (16)Surface Tension: 49.7 dyne/cm; (17)Enthalpy of Vaporization: 53.42 kJ/mol; (18)Vapour Pressure: 0.00161 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(nsc1N)c2ccc(cc2)OC
(2)InChI: InChI=1/C11H12N2OS/c1-7-10(13-15-11(7)12)8-3-5-9(14-2)6-4-8/h3-6H,12H2,1-2H3
(3)InChIKey: VAIJKTHAHKDKKB-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C11H12N2OS/c1-7-10(13-15-11(7)12)8-3-5-9(14-2)6-4-8/h3-6H,12H2,1-2H3
(5)Std. InChIKey: VAIJKTHAHKDKKB-UHFFFAOYSA-N

Product Name

3-(4-methoxyphenyl)-4-methylisothiazol-5-amine

3-(4-Methoxyphenyl)-4-methyl-5-isothiazolamine Specification

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